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PubMed code 17149885

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 2.5n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 5n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 680n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human PDGFR beta


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 970n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human FAK


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 beta


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human TIE2


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 (with cyclin A)


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human IGF1-R


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human CDK4 (with cyclin D1)


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora-A


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human EPHB4


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human SRC


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human Ins-R


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora-B


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human ERbB2


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 9.30E+4n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human ABL1


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human NEK2


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human PLK1


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%